methyl 6-[[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[(2R)-4-methyl-2-phenyl-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[(2R)-4-methyl-2-phenylpiperazin-4-ium-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[(2R)-4-methyl-2-phenyl-piperazin-4-ium-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C19H30N3O2S+ MolecularWeight: 364.5254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(C(C1)C2=CC=CC=C2)C(=S)NCCCCCC(=O)OC

Isomeric SMILES

C[NH+]1CCN([C@@H](C1)C2=CC=CC=C2)C(=S)NCCCCCC(=O)OC

InChI

InChI=1S/C19H29N3O2S/c1-21-13-14-22(17(15-21)16-9-5-3-6-10-16)19(25)20-12-8-4-7-11-18(23)24-2/h3,5-6,9-10,17H,4,7-8,11-15H2,1-2H3,(H,20,25)/p+1/t17-/m0/s1